3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole

C82H57Br4N9 — CID 157102092

About 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole

3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole (PubChem CID 157102092) has the molecular formula C82H57Br4N9 and a molecular weight of 1488.04 g/mol. Its IUPAC name is 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole.

Molecular Properties

• Compound Name: 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole
• PubChem CID: 157102092
• Molecular Formula: C82H57Br4N9
• Molecular Weight: 1488.04 g/mol
• Exact Mass: 1483.15
• IUPAC Name: 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole
• SMILES: Brc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1.Brc1ccc2[nH]cc(-c3nc(-c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(Br)cc2)[nH]1
• InChI: InChI=1S/C35H24BrN3.C24H18BrN3.C23H15Br2N3/c36-29-19-20-32-30(21-29)31(22-37-32)35-38-33(27-15-11-25(12-16-27)23-7-3-1-4-8-23)34(39-35)28-17-13-26(14-18-28)24-9-5-2-6-10-24;1-15-21(19-9-5-6-10-20(19)26-15)24-27-22(16-7-3-2-4-8-16)23(28-24)17-11-13-18(25)14-12-17;24-16-8-6-15(7-9-16)22-21(14-4-2-1-3-5-14)27-23(28-22)19-13-26-20-11-10-17(25)12-18(19)20/h1-22,37H,(H,38,39);2-14,26H,1H3,(H,27,28);1-13,26H,(H,27,28)
• InChIKey: AFWOKIFTAIPVNN-UHFFFAOYSA-N
• XLogP: 24.37
• TPSA: 133.41 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1488.04
LogP ≤ 5	24.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole?

The IUPAC name of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole (CID 157102092) is 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole.

What is the SMILES notation for 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole?

The canonical SMILES for 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole is Brc1ccc(-c2[nH]c(-c3c[nH]c4ccc(Br)cc34)nc2-c2ccccc2)cc1.Brc1ccc2[nH]cc(-c3nc(-c4ccc(-c5ccccc5)cc4)c(-c4ccc(-c5ccccc5)cc4)[nH]3)c2c1.Cc1[nH]c2ccccc2c1-c1nc(-c2ccccc2)c(-c2ccc(Br)cc2)[nH]1.

What is the InChIKey of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole?

The InChIKey is AFWOKIFTAIPVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24BrN3.C24H18BrN3.C23H15Br2N3/c36-29-19-20-32-30(21-29)31(22-37-32)35-38-33(27-15-11-25(12-16-27)23-7-3-1-4-8-23)34(39-35)28-17-13-26(14-18-28)24-9-5-2-6-10-24;1-15-21(19-9-5-6-10-20(19)26-15)24-27-22(16-7-3-2-4-8-16)23(28-24)17-11-13-18(25)14-12-17;24-16-8-6-15(7-9-16)22-21(14-4-2-1-3-5-14)27-23(28-22)19-13-26-20-11-10-17(25)12-18(19)20/h1-22,37H,(H,38,39);2-14,26H,1H3,(H,27,28);1-13,26H,(H,27,28).

What are the key properties of 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole?

3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole has a molecular weight of 1488.04 g/mol, XLogP of 24.37, 11 rotatable bonds, 6 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4,5-bis(4-phenylphenyl)-1H-imidazol-2-yl]-5-bromo-1H-indole;5-bromo-3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole;3-[5-(4-bromophenyl)-4-phenyl-1H-imidazol-2-yl]-2-methyl-1H-indole is sourced from PubChem (CID 157102092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).